4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide

C14H23N3O2 — CID 99790250

IUPAC4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide
SMILESCN(CC[C@H]1CCCO1)C(=O)CCCn1ccnc1
InChIInChI=1S/C14H23N3O2/c1-16(9-6-13-4-3-11-19-13)14(18)5-2-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyGPKOYOCUQJPGDS-CYBMUJFWSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds7

About 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide

4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide (PubChem CID 99790250) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide
PubChem CID99790250
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide
SMILESCN(CC[C@H]1CCCO1)C(=O)CCCn1ccnc1
InChIInChI=1S/C14H23N3O2/c1-16(9-6-13-4-3-11-19-13)14(18)5-2-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyGPKOYOCUQJPGDS-CYBMUJFWSA-N
XLogP1.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
CID 65164054
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 86990220
methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
1-[[4-(dimethylamino)phenyl]methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea
CID 4987819
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
1-(3-imidazol-1-ylpropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913905
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide (CID 99790250) is 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide is CN(CC[C@H]1CCCO1)C(=O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide?
The InChIKey is GPKOYOCUQJPGDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(9-6-13-4-3-11-19-13)14(18)5-2-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide?
4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]butanamide is sourced from PubChem (CID 99790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).